(5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C16H14BrNO2 — CID 9117870

IUPAC(5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H14BrNO2/c17-15-7-6-14(20-15)16(19)18-10-8-13(9-11-18)12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyWTARPCKINZISNT-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.97
Rot. Bonds2

About (5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 9117870) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID9117870
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC Name(5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C16H14BrNO2/c17-15-7-6-14(20-15)16(19)18-10-8-13(9-11-18)12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyWTARPCKINZISNT-UHFFFAOYSA-N
XLogP3.97
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromofuran-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 115772130
(5-bromofuran-2-yl)-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 84559004
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
(3-benzyl-2-methyl-3H-inden-1-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 70639709
(2-methylsulfanylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18106500
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
[4-(dimethylamino)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167889
(2-phenoxyphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18284551
5-bromo-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)phenyl]furan-2-carboxamide
CID 126479302
3-methyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)but-2-en-1-one
CID 122176819
(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 61292889
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 38168481

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 9117870) is (5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1ccc(Br)o1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is WTARPCKINZISNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c17-15-7-6-14(20-15)16(19)18-10-8-13(9-11-18)12-4-2-1-3-5-12/h1-8H,9-11H2.
What are the key properties of (5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 332.20 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 9117870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).